aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18331 | 2.49 | 424.41 | C22H20O7N2 | C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccc(O)cc12 |
|
AD18332 | 3.17 | 268.75 | C10H5N4ClS2 | S=c1[nH]nc2sc(-c3ccc(Cl)cc3)nn12 |
|
AD18333 | 4.36 | 1264.78 | C64H74O17N9Cl | CCCCCCCCCCNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(N)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3cccc(c3)C2OC2CC(C)(N)C(O)C(C)O2)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD18334 | 3.65 | 341.44 | C18H25ON6 | O=C(CCC1CCCC1)Nc1nc2c(c(NC3CCCC3)n1)N=C[N]2 |
|
AD18335 | 0.86 | 335.35 | C13H13O4N5S | Cc1cc(NS(=O)(=O)c2ccc(-n3cc(CO)nn3)cc2)no1 |
|
AD18336 | 1.44 | 202.24 | C10H12N5 | CC(C)=CCNc1ncnc2c1C=N[N]2 |
|
AD18337 | 2.29 | 302.29 | C12H8O3N5S | O=[N+]([O-])c1ccc(O)c(CSc2ncnc3c2N=C[N]3)c1 |
|
AD18338 | 0.31 | 175.17 | C8H7ON4 | O=CCNc1ncnc2c1C=C[N]2 |
|
AD18339 | 0.9 | 224.14 | CH6O5P2S2 | COP(=S)(S)OP(=O)(O)O |
|
AD18340 | 4.5 | 543.75 | C32H49O6N | CC1(C)CCC2(C(=O)NCC(=O)O)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1 |